5-methyl-3-[(5-methyl-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium-3-yl)methyl]-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium

Systemtic Name: 5-methyl-3-[(5-methyl-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium-3-yl)methyl]-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium Openeye Name: 5-methyl-3-[[5-methyl-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium-3-yl]methyl]-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium CAS Name: 5-methyl-3-[[5-methyl-4-(1-naphthalenyl)-1-phenyl-1,2,4-triazol-4-ium-3-yl]methyl]-4-(1-naphthalenyl)-1-phenyl-1,2,4-triazol-4-ium IUPAC Name: 5-methyl-3-[(5-methyl-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium-3-yl)methyl]-4-naphthalen-1-yl-1-phenyl-1,2,4-triazol-4-ium Traditional Name: 5-methyl-3-[[5-methyl-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium-3-yl]methyl]-4-(1-naphthyl)-1-phenyl-1,2,4-triazol-4-ium Formula: C39H32N6+2 MolecularWeight: 584.71158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C2=CC=CC=C2)CC3=NN(C(=[N+]3C4=CC=CC5=CC=CC=C54)C)C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87

Isomeric SMILES

CC1=[N+](C(=NN1C2=CC=CC=C2)CC3=NN(C(=[N+]3C4=CC=CC5=CC=CC=C54)C)C6=CC=CC=C6)C7=CC=CC8=CC=CC=C87

InChI

InChI=1S/C39H32N6/c1-28-42(36-25-13-17-30-15-9-11-23-34(30)36)38(40-44(28)32-19-5-3-6-20-32)27-39-41-45(33-21-7-4-8-22-33)29(2)43(39)37-26-14-18-31-16-10-12-24-35(31)37/h3-26H,27H2,1-2H3/q+2